Phenol hydrogenation over H-MFI zeolite encapsulated platinum nanocluster catalyst

The development of catalysts with high activity and selectivity is of paramount importance for the industrial conversion of biomass. One crucial reaction in this process is the hydrogenation of phenol, a key component of phenolic resins in biomass, into cyclohexanone and cyclohexanol. In this study, density functional theory (DFT) calculations were utilized to examine phenol hydrogenation reaction mechanisms over a platinum (Pt) nanocluster encapsulated in the H-MFI zeolite,